SCHEMBL4460394

SCHEMBL4460394

O=C(Nc1ccc2c(c1)OCCO2)NC1C2CN(c3ccc(F)cc3)CC21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
KMT2A Q03164 5/20 0.54
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
TP53 P04637 1/20 0.53
MEN1 O00255 3/20 0.51
POLB P06746 2/20 0.51
TRPV1 Q8NER1 1/20 0.50
ATM Q13315 1/20 0.49
MAOB P27338 1/20 0.49
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4460386 1.00 MAPT (0.61) MAPTSMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL13783957 0.86 RAB9A (0.54) MAPTSMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL4450024 0.86 RAB9A (0.54) MAPTSMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL4450022 0.86 RAB9A (0.54) MAPTSMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL13783901 0.74 CCR3 (0.51) MAPTKMT2ARAB9ANPC1TP53
SCHEMBL4454796 0.74 CCR3 (0.51) MAPTKMT2ARAB9ANPC1TP53
SCHEMBL4454800 0.74 CCR3 (0.51) MAPTKMT2ARAB9ANPC1TP53
SCHEMBL13783974 0.72 CCR3 (0.51) MAPTSMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL6332386 0.70 RAB9A (1.00) MAPTSMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL12692443 0.69 RAB9A (1.00) MAPTSMN1; SMN2KMT2ARAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO claimed
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed